2-(2-Bromo-3-methylphenyl)acetonitrile

HCID 22672613

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 248920-09-4
표준 SMILES: Cc1cccc(CC#N)c1Br
InChIKey: LQQGCXTYKIBEJD-UHFFFAOYSA-N
분자식: C9H8BrN
평균 분자량: 210.07 g/mol
단동위원소 질량: 208.98401

이름 및 식별자

우선 이름: 2-(2-Bromo-3-methylphenyl)acetonitrile
IUPAC: 2-(2-bromo-3-methylphenyl)acetonitrile
영어명: 2-bromo-3-methylphenylacetonitrile
분자식: C9H8BrN
분자량: 210.07

이름 및 동의어

248920-09-42-(2-Bromo-3-methylphenyl)acetonitrile2-Bromo-3-methylphenylacetonitrileBenzeneacetonitrile, 2-bromo-3-methyl-MFCD183922252-bromo-3-methylbenzylcyanidSCHEMBL6217366SCHEMBL31627880LQQGCXTYKIBEJD-UHFFFAOYSA-NYJA92009CL96982-(2-bromo-3-methylphenyl)acetonitril

이름 더 보기

2-(2-bromo-3-methyl-phenyl)acetonitrileSY244128EN300-1716637F527254

데이터베이스 식별자

CAS: 248920-09-4
PubChem CID: 22672613
EC Number: 155-710-4

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 170

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.